3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile

C7H2BrF4N — CID 146309479

IUPAC3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile
SMILESC#N.Fc1cc(F)c(F)c(Br)c1F
InChIInChI=1S/C6HBrF4.CHN/c7-4-5(10)2(8)1-3(9)6(4)11;1-2/h1H;1H
InChIKeyYQWVETDDAQNBPG-UHFFFAOYSA-N
MW256.00 g/mol
LogP3.15
Rot. Bonds

About 3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile

3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile (PubChem CID 146309479) has the molecular formula C7H2BrF4N and a molecular weight of 256.00 g/mol. Its IUPAC name is 3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile.

Molecular Properties

Compound Name3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile
PubChem CID146309479
Molecular FormulaC7H2BrF4N
Molecular Weight256.00 g/mol
Exact Mass254.93
IUPAC Name3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile
SMILESC#N.Fc1cc(F)c(F)c(Br)c1F
InChIInChI=1S/C6HBrF4.CHN/c7-4-5(10)2(8)1-3(9)6(4)11;1-2/h1H;1H
InChIKeyYQWVETDDAQNBPG-UHFFFAOYSA-N
XLogP3.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.00
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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3-bromo-2,4,5-trifluorobenzoic acid
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2,6-dibromo-3,4-difluorophenol
CID 84814133
2-(3-bromo-2,4,5-trifluorophenyl)propan-2-amine
CID 117111939
1,2-dibromo-4,5-difluoro-3-(trifluoromethylsulfanyl)benzene
CID 166641379
CID 172801487
CID 172801487
3-bromo-2,4,6-trifluorobenzonitrile
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2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene
CID 130766572

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile?
The IUPAC name of 3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile (CID 146309479) is 3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile.
What is the SMILES notation for 3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile?
The canonical SMILES for 3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile is C#N.Fc1cc(F)c(F)c(Br)c1F.
What is the InChIKey of 3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile?
The InChIKey is YQWVETDDAQNBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrF4.CHN/c7-4-5(10)2(8)1-3(9)6(4)11;1-2/h1H;1H.
What are the key properties of 3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile?
3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile has a molecular weight of 256.00 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile is sourced from PubChem (CID 146309479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).